BDBM50152850 1-HEXYLDECANOIC ACID::CHEMBL82293::Hexadecanoic acid::Hexadecanoic acid anion::Palmitic acid (PA)

SMILES: CCCCCCCCCCCCCCCC(O)=O

InChI Key: InChIKey=IPCSVZSSVZVIGE-UHFFFAOYSA-N

Data: 5 KI  13 IC50  3 Kd

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50152850   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	336	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from aFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	670	-8.56	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(DSm) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	690	-8.54	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	802	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from eFABP by fluorescence based-assay				Bioorg Med Chem Lett 17: 3511-5 (2007) Article DOI: 10.1016/j.bmcl.2006.12.044 BindingDB Entry DOI: 10.7270/Q24B3119
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5)(NLSm) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	3.06E+3	-7.64	n/a	n/a	n/a	n/a	n/a	8.2	30
Emory University					Assay Description In brief, both wild-type and mutant hFABP5 were expressed and purified to homogeneity as described above and dialyzed in PBS (pH 8.2). Binding affini...				J Biol Chem 289: 14941-54 (2014) Article DOI: 10.1074/jbc.M113.514646 BindingDB Entry DOI: 10.7270/Q21835CT
					More data for this Ligand-Target Pair
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description In vitro inhibitory concentration against intestinal fatty acid binding protein(I-FABP)				Bioorg Med Chem Lett 14: 4445-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.057 BindingDB Entry DOI: 10.7270/Q2XD1155
					More data for this Ligand-Target Pair
Cyclooxygenase (Bos taurus)	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of bovine COX1-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) Article DOI: 10.1021/np000620d BindingDB Entry DOI: 10.7270/Q24J0DVJ
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description In vitro inhibitory concentration against epithelial fatty acid binding protein(E-FABP)				Bioorg Med Chem Lett 14: 4445-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.057 BindingDB Entry DOI: 10.7270/Q2XD1155
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description In vitro inhibitory concentration against adipocyte fatty acid binding protein(A-FABP)				Bioorg Med Chem Lett 14: 4445-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.057 BindingDB Entry DOI: 10.7270/Q2XD1155
					More data for this Ligand-Target Pair
Fatty acid-binding protein 5 (FABP5) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	802	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human kFABP				J Med Chem 49: 5013-7 (2006) Article DOI: 10.1021/jm060360i BindingDB Entry DOI: 10.7270/Q2TQ6157
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase (Cyclooxygenase-2) (Ovis aries (Sheep))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of sheep COX2-mediated prostaglandin biosynthesis using [1-14C]arachidonic acid				J Nat Prod 64: 745-9 (2001) Article DOI: 10.1021/np000620d BindingDB Entry DOI: 10.7270/Q24J0DVJ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars		n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]BRL49653 from Homo sapiens (human) PPARgamma receptor by scintillation proximity assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
Fatty acid-binding protein 4 (FABP4) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a
University of Parma Curated by ChEMBL					Assay Description Binding affinity against Adipocyte lipid binding protein				J Med Chem 45: 2469-83 (2002) Article DOI: 10.1021/jm0200299 BindingDB Entry DOI: 10.7270/Q28916J7
					More data for this Ligand-Target Pair
Toll-like receptor 2 (TLR2) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of T£bingen Curated by ChEMBL					Assay Description Inhibition of TLR2 agonist Pam3Cys-Ser-(Lys)4-OH-mediated IL8 secretion in THP1 cells				J Med Chem 49: 1754-65 (2006) Article DOI: 10.1021/jm050585d BindingDB Entry DOI: 10.7270/Q2J38TSW
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus)	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council (CNR) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of LPC-induced Ca2+ levels preincubated for 5 mins foll...				J Med Chem 61: 8255-8281 (2018) BindingDB Entry DOI: 10.7270/Q2222XFP
					More data for this Ligand-Target Pair
Vanilloid receptor (Rattus norvegicus)	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Research Council (CNR) Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat TRPV2 expressed in HEK293 cells assessed as inhibition of CBD-induced Ca2+ levels preincubated for 5 mins foll...				J Med Chem 61: 8255-8281 (2018) BindingDB Entry DOI: 10.7270/Q2222XFP
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther-University Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition and measured at 1...				Bioorg Med Chem Lett 28: 3315-3319 (2018) BindingDB Entry DOI: 10.7270/Q2SQ932J
					More data for this Ligand-Target Pair
Intestinal fatty acid-binding protein (hIFABP) (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	3.72E+3	n/a	n/a	n/a	n/a	n/a
Harvard University Curated by ChEMBL					Assay Description Binding affinity against Fatty acid-binding protein				J Med Chem 45: 2770-80 (2002) BindingDB Entry DOI: 10.7270/Q2MG7S8S
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars		n/a	n/a	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2433 from Homo sapiens (human) PPARdelta receptor by scintillation proximity assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars		n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]GW2331 from Homo sapiens (human) PPARalpha receptor by scintillation proximity assay				Citation and Details BindingDB Entry DOI: 10.7270/Q2MG7SDK
					More data for this Ligand-Target Pair
Fatty acid binding protein muscle (Homo sapiens (Human))	BDBM50152850 (1-HEXYLDECANOIC ACID | CHEMBL82293 | Hexadecanoic ...) Show SMILES CCCCCCCCCCCCCCCC(O)=O Show InChI InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar	Purchase CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Biovitrum AB Curated by ChEMBL					Assay Description In vitro inhibitory concentration against heart and muscle fatty acid binding protein(H-FABP)				Bioorg Med Chem Lett 14: 4445-8 (2004) Article DOI: 10.1016/j.bmcl.2004.06.057 BindingDB Entry DOI: 10.7270/Q2XD1155
					More data for this Ligand-Target Pair				3D Structure (docked)